Monomers
2-Propenyl trimethylacetate
Identifiers
IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
3.6352 0.6042 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8166 0.1304 -0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0688 -1.1196 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6738 -0.8980 -0.4051 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0287 0.0024 0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6981 0.6266 1.2704 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4403 0.1311 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0334 1.1236 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6782 0.5057 -1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0201 -1.2686 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7788 0.1069 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1943 1.5160 0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7052 0.6553 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3846 -1.5703 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3045 -1.8078 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2228 2.0774 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9805 0.8088 1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3031 1.4241 2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5030 -0.0919 -1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9786 1.5876 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7855 0.3240 -1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8804 -1.5835 1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4059 -1.9473 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0569 -1.3370 0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
7 9 1 0
7 10 1 0
1 11 1 0
1 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
8 16 1 0
8 17 1 0
8 18 1 0
9 19 1 0
9 20 1 0
9 21 1 0
10 22 1 0
10 23 1 0
10 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers